SCHEMBL17908799

SCHEMBL17908799

CC(C)CCOC(=O)CCCOCCOCCOCCOCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.39
▸ DGKA P23743 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DNM1 Q05193 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17909385 1.00 CYP19A1 (0.39) CYP19A1DGKATDP1MAPTCYP3A4
SCHEMBL17908929 1.00 CYP19A1 (0.39) CYP19A1DGKATDP1MAPTCYP3A4
SCHEMBL17909186 0.91 TDP1 (0.44) CYP19A1DGKATDP1MAPTCYP3A4
SCHEMBL17908921 0.91 TDP1 (0.44) CYP19A1DGKATDP1MAPTCYP3A4
SCHEMBL17909427 0.91 TDP1 (0.44) CYP19A1DGKATDP1MAPTCYP3A4
SCHEMBL31110297 0.90 TDP1 (0.45) CYP19A1DGKATDP1MAPTCYP3A4
SCHEMBL17909682 0.89 DGKA (0.39) DGKAMAPTALDH1A1DNM1LMNA
SCHEMBL17909147 0.89 DGKA (0.39) DGKAMAPTALDH1A1DNM1LMNA
SCHEMBL17909201 0.89 DGKA (0.39) DGKAMAPTALDH1A1DNM1LMNA
SCHEMBL17909440 0.89 DGKA (0.39) DGKAMAPTALDH1A1DNM1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048093-B1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORP (JP) 2019-02-20 — — EP disclosed
US-10077229-B2 Ether-containing monoester compound and use thereof MORESCO CORPORATION (JP) 2018-09-18 — — US disclosed
EP-3048093-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF Moresco Corporation (JP) 2016-07-27 — — EP disclosed
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORPORATION (JP) 2016-07-14 — — US disclosed
CN-105579431-A Ether-containing monoester compound and use thereof MORESCO CORP 2016-05-11 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10077229-B2 Ether-containing monoester compound and use thereof SFN, CCNE2, HSD3B2 CYP19A1 922/4885DGKA 1202/4885TDP1 4596/4885
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 CYP19A1 978/4885DGKA 1333/4885TDP1 4611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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